[3-(trifluoromethyl)phenyl] 4,4-bis(fluoranyl)-3-methyl-3-(1,2,4-triazol-1-yl)butanoate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4,4-bis(fluoranyl)-3-methyl-3-(1,2,4-triazol-1-yl)butanoate Openeye Name: [3-(trifluoromethyl)phenyl] 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanoate CAS Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanoic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanoate Traditional Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butyric acid [3-(trifluoromethyl)phenyl] ester Formula: C14H12F5N3O2 MolecularWeight: 349.255996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)(C(F)F)N2C=NC=N2

Isomeric SMILES

CC(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)(C(F)F)N2C=NC=N2

InChI

InChI=1S/C14H12F5N3O2/c1-13(12(15)16,22-8-20-7-21-22)6-11(23)24-10-4-2-3-9(5-10)14(17,18)19/h2-5,7-8,12H,6H2,1H3